Information card for entry 7216703

Structure parameters

• Formula: C42 H47 Cu6 I6 N17 O8
• Calculated formula: C42 H47 Cu6 I6 N17 O8
• SMILES: [Cu]1234(I)[O]5[Cu]67([N](N=C8[O]6[Cu]69(I)([O]%10[Cu]%11%12([N](N=C([O]1%11)C(=[N]4O)C)=C(c1[n]%12cccc1)C)[N](O)=C(C%10=N[N]9=C(c1[n]6cccc1)C)C)[N](O)=C8C)=C(c1[n]7cccc1)C)[N](O)=C(C5=N[N]3=C(c1[n]2cccc1)C)C.[Cu]12([Cu](I)([I]1)[I]2)I.C(#N)C
• Title of publication: Two low-dimensional Schiff base copper(i/ii) complexes: synthesis, characterization and catalytic activity for degradation of organic dyes
• Authors of publication: Hong, Xu-Jia; Liu, Xiang; Zhang, Jing-Bo; Lin, Chu-Ling; Wu, Xiao; Ou, Yan-Jun; Yang, Jian; Jin, Hong-Guang; Cai, Yue-Peng
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 34
• Pages of publication: 7926
• a: 16.408 ± 0.005 Å
• b: 23.207 ± 0.007 Å
• c: 16.67 ± 0.005 Å
• α: 90°
• β: 98.473 ± 0.005°
• γ: 90°
• Cell volume: 6278 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1358
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.1799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No